{"id":196638,"date":"2020-02-29T06:15:35","date_gmt":"2020-02-28T22:15:35","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=196638"},"modified":"2020-02-28T20:16:03","modified_gmt":"2020-02-28T12:16:03","slug":"%e6%83%b3%e5%8f%91%e9%ab%98%e6%b0%b4%e5%b9%b3%e9%92%99%e9%92%9b%e7%9f%bf%e8%ae%ba%e6%96%87%e5%ad%a6%e4%bc%9a%e5%a4%9a%e6%b8%a0%e9%81%93%e8%bf%9b%e8%a1%8c%e7%9b%b8%e4%ba%92%e4%bd%9c%e7%94%a8%e7%9a%84","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=196638","title":{"rendered":"\u60f3\u53d1\u9ad8\u6c34\u5e73\u9499\u949b\u77ff\u8bba\u6587?\u5b66\u4f1a\u591a\u6e20\u9053\u8fdb\u884c\u76f8\u4e92\u4f5c\u7528\u7684\u8868\u5f81"},"content":{"rendered":"

\u9499\u949b\u77ff\u4f5c\u4e3a\u70ed\u95e8\u7684\u65b0\u80fd\u6e90\u9886\u57df\uff0c\u5728\u5f88\u591a\u9876\u7ea7\u671f\u520a\u6742\u5fd7\u90fd\u5c11\u4e0d\u4e86\u5b83\u7684\u8eab\u5f71\uff0c\u9876\u7ea7\u671f\u520a\u7684\u6587\u7ae0\u5927\u90fd\u6df1\u5165\u5230\u673a\u7406\u7684\u5206\u6790\uff0c\u7ed3\u6676\u8fc7\u7a0b\u7684\u5f71\u54cd\uff0c\u5de5\u827a\u7684\u6539\u8fdb\u6216\u8005\u521b\u9020\u7b49\u7b49\u3002\u5176\u4e2d\u5206\u6790\u6e05\u695a\u57fa\u56e2\u4e4b\u95f4\u7684\u76f8\u4e92\u4f5c\u7528\uff0c\u6709\u52a9\u4e8e\u6211\u4eec\u5728\u5fae\u89c2\u4e0a\u7406\u89e3\u9499\u949b\u77ff\u7684\u7535\u8377\u4f20\u8f93\u3001\u6d88\u9664\u7f3a\u9677\u3001\u63d0\u9ad8\u7a33\u5b9a\u6027\u3001\u9650\u5236\u79bb\u5b50\u7684\u8fc1\u79fb\u7b49\u8fc7\u7a0b\u4e5f\u662f\u975e\u5e38\u91cd\u8981\u7684\uff0c\u6240\u4ee5\u5206\u6790\u57fa\u56e2\u76f8\u4e92\u4f5c\u7528\u6d89\u53ca\u7684\u5404\u79cd\u8868\u5f81\u624b\u6bb5\u4e5f\u9010\u6e10\u589e\u52a0\uff0c\u4f8b\u5982\u5085\u91cc\u53f6\u53d8\u6362\u7ea2\u5916\u5149\u8c31\uff08FTIR spectra\uff09\u3001\u56fa\u4f53\u6838\u78c1\u5171\u632f\u6280\u672f\uff08SSNMR\uff09\u3001X\u5c04\u7ebf\u5149\u7535\u5b50\u80fd\u8c31\u5206\u6790(X-ray photoelectron spectroscopy,\u00a0XPS)\u3001\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08Density Functional Theory\uff0cDFT\uff09\u7b49\u7b49\uff0c\u6709\u9009\u62e9\u6027\u7684\u4f7f\u7528\u79d1\u7814\u8868\u5f81\u89e3\u51b3\u79d1\u7814\u75db\u70b9\u95ee\u9898\u624d\u662f\u5173\u952e\u3002<\/p>\n

1\u3001<\/b><\/strong>\u5085\u91cc\u53f6\u53d8\u6362<\/b><\/strong>\u7ea2\u5916<\/b><\/strong>\u5149\u8c31\uff08<\/b><\/strong>FTIR spectra<\/b><\/strong>\uff09<\/b><\/strong>\u00a0<\/b><\/strong><\/p>\n

1<\/b><\/strong>.1<\/b><\/strong>\u00a0<\/b><\/strong>\u8868\u5f81\u539f\u7406<\/b><\/strong><\/p>\n

\u5085\u91cc\u53f6\u53d8\u6362\u7ea2\u5916\u5149\u8c31\u4eea\u4e3b\u8981\u7531\u8fc8\u514b\u5c14\u900a\u5e72\u6d89\u4eea\u548c\u8ba1\u7b97\u673a\u7ec4\u6210\u3002\u5149\u6e90\u53d1\u51fa\u7684\u5149\u88ab\u5206\u675f\u5668(\u7c7b\u4f3c\u4e8e\u534a\u900f\u660e\u7684\u955c\u5b50)\u5206\u6210\u4e24\u675f\u3002\u4e00\u675f\u5149\u4f20\u9001\u5230\u8fd0\u52a8\u955c\uff0c\u53e6\u4e00\u675f\u53cd\u5c04\u5230\u56fa\u5b9a\u955c\uff0c\u4e24\u675f\u5149\u5206\u522b\u88ab\u56fa\u5b9a\u955c\u548c\u8fd0\u52a8\u955c\u53cd\u5c04\uff0c\u7136\u540e\u8fd4\u56de\u5230\u5206\u675f\u5668\u3002\u52a8\u955c\u4ee5\u5300\u901f\u76f4\u7ebf\u8fd0\u52a8\uff0c\u4f7f\u4e24\u675f\u5149\u7ecf\u8fc7\u5206\u675f\u5668\u540e\u5f62\u6210\u5149\u7a0b\u5dee\uff0c\u9020\u6210\u5e72\u6d89\u3002\u5e72\u6d89\u5149\u5728\u5206\u675f\u5668\u4e2d\u7ec4\u88c5\u597d\u540e\u901a\u8fc7\u6837\u54c1\u6c60\uff0c\u542b\u6709\u6837\u54c1\u4fe1\u606f\u7684\u5e72\u6d89\u5149\u901a\u8fc7\u6837\u54c1\u5230\u8fbe\u63a2\u6d4b\u5668\uff0c\u7136\u540e\u5bf9\u4fe1\u53f7\u8fdb\u884c\u5085\u91cc\u53f6\u53d8\u6362\uff0c\u5f97\u5230\u900f\u5c04\u7387\u6216\u5438\u5149\u5ea6\u968f\u6ce2\u957f\u53d8\u5316\u7684\u7ea2\u5916\u5438\u6536\u5149\u8c31\u3002 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0<\/p>\n

\u5f85\u6d4b\u6837\u54c1\u7528\u9891\u7387\u4e0d\u65ad\u53d8\u5316\u7684\u7ea2\u5916\u5149\u7167\u5c04\uff0c\u5206\u5b50\u57fa\u56e2\u4f1a\u5438\u6536\u7279\u5f81\u9891\u7387\u7684\u7ea2\u5916\u5149\u3002\u5176\u632f\u52a8\u6216\u8f6c\u52a8\u5f15\u8d77\u5076\u6781\u77e9\u7684\u53d8\u5316\uff0c\u5bfc\u81f4\u5206\u5b50\u632f\u52a8\u80fd\u7ea7\u548c\u8f6c\u52a8\u80fd\u7ea7\u4ece\u57fa\u6001\u5411\u6fc0\u53d1\u6001\u8f6c\u53d8\uff0c\u5f62\u6210\u5206\u5b50\u5438\u6536\u5149\u8c31\u3002<\/p>\n

\u5085\u91cc\u53f6\u53d8\u6362\u7ea2\u5916\u5149\u8c31\u5728\u9499\u949b\u77ff\u9886\u57df\u53ef\u4ee5\u7528\u4e8e\u5206\u6790\u7279\u5b9a\u57fa\u56e2\u7684\u5438\u6536\u5cf0\u4f4d\u7f6e\u53ca\u5f3a\u5ea6\u3002\u5176\u4e2d\u7279\u5f81\u5438\u6536\u9891\u7387\u53ef\u4ee5\u7528\u4e8e\u57fa\u56e2\u7684\u5b9a\u6027\u5206\u6790\uff0c\u5438\u6536\u5cf0\u4f4d\u7f6e\u7684\u79fb\u52a8\u53ef\u4ee5\u7531\u4e8e\u57fa\u56e2\u95f4\u7684\u76f8\u4e92\u4f5c\u7528\u5f15\u8d77\uff1b\u5438\u6536\u7279\u5f81\u5cf0\u7684\u5f3a\u5ea6\u53ef\u4ee5\u7528\u4e8e\u5b9a\u91cf\u5206\u6790\u3002<\/p>\n

1<\/b><\/strong>.2<\/b><\/strong>\u8868\u5f81\u5e94\u7528<\/b><\/strong><\/p>\n

\uff081\uff09\u9648\u4e49\u65fa\u6559\u6388[<\/sup>1]<\/sup>\u5c06\u6c1f\u5316\u7684\u4e8c\u4e9a\u80fa(F-PDI)\u5f15\u5165\u9499\u949b\u77ff\u8584\u819c\u4e2d\uff0c\u53ef\u4ee5\u589e\u5f3a\u5668\u4ef6\u7684\u5149\u4f0f\u6027\u80fd\uff0c\u540c\u65f6\u63d0\u9ad8\u5176\u70ed\u7a33\u5b9a\u6027\u548c\u6e7f\u5ea6\u7a33\u5b9a\u6027\u3002\u4f5c\u8005\u5728\u63d0\u51fa\u5f15\u5165\u7684F-PDI\u5206\u5b50\u5728\u9499\u949b\u77ff\u6676\u754c\u548c\u8868\u9762\u5177\u6709\u949d\u5316\u7f3a\u9677\u548c\u4fc3\u8fdb\u7535\u8377\u8fc1\u79fb\u7684\u4f5c\u7528\uff0c\u7531\u4e8eF-PDI\u7684\u7fb0\u57fa\u4e0e\u975e\u914d\u4f4d\u94c5\u7684\u87af\u5408\u4f5c\u7528\uff0c\u4ee5\u53ca\u4e00\u4e2a\u591a\u91cd\u758f\u6c34\u7ed3\u6784\uff0c\u53ef\u4ee5\u4fdd\u62a4\u9499\u949b\u77ff\u514d\u53d7\u6c34\u6c14\u4fb5\u8680\u3002\u4f5c\u8005\u901a\u8fc7\u7ea2\u5916\u8bc1\u5b9e\uff0cF-PDI\u7684\u7fb0\u57fa\u53ef\u4ee5\u4e0e\u975e\u914d\u4f4dPb2+<\/sup>\u87af\u5408\uff0c\u949d\u5316\u9499\u949b\u77ff\u7684\u6676\u754c\u548c\u8868\u9762\uff0cF-PDI\u4f18\u5f02\u7684\u5bfc\u7535\u6027\u6709\u5229\u4e8e\u7535\u8377\u901a\u8fc7\u6676\u754c\u7684\u8f6c\u79fb\uff0c\u6709\u5229\u4e8e\u7535\u8377\u7684\u8f6c\u79fb\u4ece\u800c\u5f97\u5230\u66f4\u597d\u7684\u5149\u4f0f\u6027\u80fd\u3002\u53e6\u5916\uff0c\u6c1f\u57fa\u56e2\u4e0eMA\u4e4b\u95f4\u7684\u5f3a\u6c22\u952e\u80fd\u4f7fMA+<\/sup>\u56fa\u5b9a\uff0c\u5ef6\u7f13\u7ed3\u6676\u901f\u5ea6\uff0c\u540c\u65f6F\u00b7\u00b7H-N\u7684\u6c22\u952e\u53ef\u4ee5\u56fa\u5b9a\u7532\u80fa\u79bb\u5b50(MA+<\/sup>)\uff0c\u4ece\u800c\u63d0\u9ad8\u4e86\u5668\u4ef6\u7684\u70ed\u7a33\u5b9a\u6027\u3002<\/p>\n

\u56fe1\uff1aF-PDI,\u7eaf\u9499\u949b\u77ff\u3001F-PDI\u4e0e\u9499\u949b\u77ff\u6df7\u5408\u7684\u7ea2\u5916\u5149\u8c31[<\/sup>1]<\/sup><\/p>\n

\"\"<\/p>\n

\uff082\uff09\u6768\u9633\u6559\u6388\u7814\u7a76\u56e2\u961f\u53d1\u73b0[<\/sup>2]<\/sup>\uff0c\u9499\u949b\u77ff\u592a\u9633\u80fd\u7535\u6c60\u4e2d\u52a0\u5165\u5496\u5561\u56e0\uff0c\u53ef\u4ee5\u4f7f\u5176\u5177\u6709\u8f83\u9ad8\u7684PCE\u548c\u8f83\u597d\u7684\u7a33\u5b9a\u6027\u3002\u4e3a\u63a2\u7a76\u5b9a\u5496\u5561\u56e0\u662f\u5426\u6210\u529f\u5730\u4e0e\u9499\u949b\u77ff\u7ed3\u5408\uff0c\u4f5c\u8005\u4f7f\u7528\u7ea2\u5916\u5438\u6536\u5149\u8c31\u6bd4\u8f83\u5496\u5561\u56e0\u3001\u5496\u5561\u56e0\u4e0ePbI2<\/sub>\u7684\u6df7\u5408\u7269\u3001\u4ee5\u53ca\u5496\u5561\u56e0\u4e0e\u9499\u949b\u77ff\u524d\u9a71\u4f53\uff08MAI\u3001PbI2<\/sub>\uff09\u7684\u6df7\u5408\u7269\uff0c\u53d1\u73b0\u5496\u5561\u56e0\u5728\u4e0e\u9499\u949b\u77ff\u7ed3\u5408\u540e\uff0c\u5496\u5561\u56e0\u4e2d\u7684\u7fb0\u57fa\u7684\u7279\u5f81\u5cf0\u53d1\u751f\u4e86\u79fb\u52a8\uff0c\u8fd9\u8fdb\u4e00\u6b65\u8bc1\u660e\u4e86\u5496\u5561\u56e0\u4e2d\u7684\u7fb0\u57fa\u662f\u4e0e\u9499\u949b\u77ff\u4e2d\u7684\u94c5\u76f8\u4e92\u4f5c\u7528\u5f62\u6210\u4e86\u8def\u6613\u65af\u9178\u78b1\u52a0\u548c\u7269\u3002\u8868\u660e\u5496\u5561\u56e0\u548c\u9499\u949b\u77ff\u4ea7\u751f\u76f8\u4e92\u4f5c\u7528\uff0c\u8fd9\u610f\u5473\u7740\u5496\u5561\u56e0\u5df2\u7ecf\u6210\u529f\u4e0e\u9499\u949b\u77ff\u7ed3\u5408\u4e86\u3002\u8fd9\u6837\u7684\u8def\u6613\u65af\u9178\u78b1\u52a0\u548c\u7269\u4f7f\u5f97\u9499\u949b\u77ff\u6676\u4f53\u7684\u6210\u6838\u7684\u6d3b\u5316\u80fd\u63d0\u9ad8\uff0c\u4ece\u800c\u9499\u949b\u77ff\u7684\u7ed3\u6676\u901f\u5ea6\u51cf\u7f13\uff0c\u5f97\u5230\u66f4\u9ad8\u7684\u7ed3\u6676\u5ea6\uff0c\u66f4\u5177\u6709\u6676\u7c92\u53d6\u5411\u6027\u7684\u9ad8\u8d28\u91cf\u9499\u949b\u77ff\u8584\u819c\u3002<\/p>\n

\u56fe2\uff1a\u5496\u5561\u56e0\u3001\u5496\u5561\u56e0\u4e0ePbI2<\/sub>\u3001\u5496\u5561\u56e0\u4e0eMAI\u3001PbI2<\/sub>\u7ea2\u5916\u5149\u8c31[<\/sup>2]<\/sup><\/p>\n

\"\"<\/p>\n

2\u3001\u56fa\u4f53\u6838\u78c1<\/b><\/strong>\u5171\u632f\u6280\u672f<\/b><\/strong><\/p>\n

2<\/b><\/strong>.1<\/b><\/strong>\u00a0<\/b><\/strong>\u8868\u5f81\u539f\u7406<\/b><\/strong><\/p>\n

\u56fa\u4f53\u6838\u78c1\u4e2d\u63a2\u6d4b\u5230\u7684\u76f8\u4e92\u4f5c\u7528\u5206\u4e3a\u4e24\u5927\u7c7b:\u6837\u54c1\u5185\u90e8\u7684\u76f8\u4e92\u4f5c\u7528\u53ca\u7531\u5916\u52a0\u73af\u5883\u65bd\u52a0\u4e0e\u6837\u54c1\u7684\u4f5c\u7528\u3002\u524d\u8005\u4e3b\u8981\u662f\u6837\u54c1\u5185\u5728\u7684\u7535\u78c1\u573a\u5728\u4e0e\u5916\u52a0\u7535\u78c1\u573a\u76f8\u4e92\u4f5c\u7528\u65f6\u4ea7\u751f\u7684\u591a\u79cd\u76f8\u4e92\u4f5c\u7528\u529b\uff0c\u8fd9\u4e3b\u8981\u5305\u62ec:\u5316\u5b66\u73af\u5883\u7684\u4fe1\u606f(\u5206\u5b50\u4e2d\u7531\u4e8e\u5185\u5728\u7535\u78c1\u573a\u5c4f\u853d\u5916\u78c1\u573a\u7684\u5f3a\u5ea6\u3001\u65b9\u5411\u7b49)\uff0c\u5206\u5b50\u5185\u4e0e\u5206\u5b50\u95f4\u5076\u6781\u81ea\u65cb\u5076\u5408\u76f8\u4e92\u4f5c\u7528\uff0c\u5404\u5411\u540c\u6027\u5316\u5b66\u4f4d\u79fb\uff0c\u5316\u5b66\u4f4d\u79fb\u5404\u5411\u5f02\u6027\uff08CSA\uff0cChemical Shift Anisotropy\uff09\uff0c\u5bf9\u4e8e\u81ea\u65cb\u91cf\u5b50\u6570\u4e3a>1\/2\u7684\u56db\u6781\u6838\u5c1a\u5b58\u5728\u56db\u6781\u4f5c\u7528\u3002<\/p>\n

2.2<\/b><\/strong>\u8868\u5f81\u5e94\u7528<\/b><\/strong><\/p>\n

Michael Gratzel\u7814\u7a76\u56e2\u961f[<\/sup>3]<\/sup>\u5c06\u8bbe\u8ba1\u4e86\u53cc\u529f\u80fd\u8d85\u5206\u5b50\u8c03\u5236\u5668\u2014\u20141,2,4,5-\u56db\u6c1f-3,6-\u4e8c\u7898\u82ef\uff0c\u8be5\u5206\u5b50\u4e0e\u4e09\u9633\u79bb\u5b50\u53cc\u5364\u9499\u949b\u77ff\u6750\u6599\u8868\u9762\u901a\u8fc7\u76f8\u4e92\u4f5c\u7528\u5f62\u6210\u5364\u952e\u3002\u4f5c\u8005\u7528\u4e8c\u7ef4\u56fa\u600119<\/sup>F\u6838\u78c1\u5171\u632f\u6ce2\u8c31\u7ed3\u5408\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\u8ba1\u7b97\u9610\u660e\u5176\u7ed3\u5408\u6a21\u5f0f\u300219<\/sup>F – 19<\/sup>F\u81ea\u65cb\u6269\u6563\u6d4b\u91cf\u5f97\u5230\u7684\u4e8c\u7ef4\u8c31\u6cbf\u5bf9\u89d2\u7ebf\u5bf9\u79f0\u3002f1\u548cf2\u6295\u5f71\u4ea7\u751f\u5bf9\u5e94\u7684\u4e00\u7ef419<\/sup>F\u8c31\uff0c\u800c\u4ea4\u53c9\u5cf0\u662f\u7531\u4e8e\u5076\u6781-\u5076\u6781\u76f8\u4e92\u4f5c\u7528\u7684\u78c1\u5316\u4ea4\u6362\u800c\u4ea7\u751f\u7684\uff0c\u56e0\u6b64\u8bc1\u660e\u4e86\u4e0d\u540c\u768419<\/sup>F\u73af\u5883\u5bf9\u5e94\u4e0d\u540c\u7684\u5316\u5b66\u4f4d\u79fb\u3002<\/p>\n

\u56fe3\uff1a\u5364\u952e\u8c03\u8282\u7684\u9499\u949b\u77ff\u6750\u6599\u7684\u7ed3\u6784\u7279\u6027\u3002[<\/sup>3]<\/sup><\/p>\n

\"\"<\/p>\n

3\u3001<\/b><\/strong>X\u5c04\u7ebf\u5149\u7535\u5b50\u80fd\u8c31\u5206\u6790(X-ray photoelectron spectroscopy,\u00a0<\/b><\/strong>XPS<\/b><\/strong>)<\/b><\/strong><\/p>\n

3<\/b><\/strong>.1<\/b><\/strong>\u00a0<\/b><\/strong>\u8868\u5f81\u539f\u7406<\/b><\/strong><\/p>\n

XPS\u7684\u539f\u7406\u662f\u7528X\u5c04\u7ebf\u53bb\u8f90\u5c04\u6837\u54c1\uff0c\u4f7f\u539f\u5b50\u6216\u5206\u5b50\u7684\u5185\u5c42\u7535\u5b50\u6216\u4ef7\u7535\u5b50\u53d7\u6fc0\u53d1\u5c04\u51fa\u6765\u3002\u88ab\u5149\u5b50\u6fc0\u53d1\u51fa\u6765\u7684\u7535\u5b50\u79f0\u4e3a\u5149\u7535\u5b50\u3002\u53ef\u4ee5\u6d4b\u91cf\u5149\u7535\u5b50\u7684\u80fd\u91cf\uff0c\u4ee5\u5149\u7535\u5b50\u7684\u52a8\u80fd\/\u675f\u7f1a\u80fd binding energy,(Eb=hv\u5149\u80fd\u91cf-Ek\u52a8\u80fd-W\u529f\u51fd\u6570)\u4e3a\u6a2a\u5750\u6807\uff0c\u76f8\u5bf9\u5f3a\u5ea6\uff08\u8109\u51b2\/s\uff09\u4e3a\u7eb5\u5750\u6807\u53ef\u505a\u51fa\u5149\u7535\u5b50\u80fd\u8c31\u56fe\u3002\u4ece\u800c\u83b7\u5f97\u8bd5\u6837\u6709\u5173\u4fe1\u606f\u3002XPS\u53ef\u4ee5\u7528\u4e8e\u5143\u7d20\u7684\u5b9a\u6027\u5206\u6790\u3002\u6839\u636e\u80fd\u8c31\u56fe\u4e2d\u51fa\u73b0\u7684\u7279\u5f81\u8c31\u7ebf\u6216\u8005\u7279\u5f81\u5cf0\u7684\u4f4d\u7f6e\u9274\u5b9a\u5927\u591a\u6570\u5143\u7d20\uff1b\u53e6\u4e00\u65b9\u9762\uff0cXPS\u53ef\u4ee5\u7528\u4e8e\u5143\u7d20\u7684\u5b9a\u91cf\u5206\u6790\u3002\u6839\u636e\u80fd\u8c31\u56fe\u4e2d\u5149\u7535\u5b50\u8c31\u7ebf\u5f3a\u5ea6\u6216\u8005\u7279\u5f81\u5cf0\u7684\u9762\u79ef\uff0c\u53ef\u4ee5\u8ba1\u7b97\u539f\u5b50\u7684\u542b\u91cf\u6216\u76f8\u5bf9\u542b\u91cf\uff1b\u53e6\u5916\uff0cXPS\u53ef\u4ee5\u7528\u4e8e\u8868\u9762\u7684\u5316\u5b66\u7ec4\u6210\u6216\u5143\u7d20\u7ec4\u6210\uff0c\u539f\u5b50\u4ef7\u6001\uff0c\u8868\u9762\u80fd\u6001\u5206\u5e03\uff0c\u6d4b\u5b9a\u8868\u9762\u7535\u5b50\u7684\u7535\u5b50\u4e91\u5206\u5e03\u548c\u80fd\u7ea7\u7ed3\u6784\u7b49\uff1b\u800c\u4e14XPS\u53ef\u4ee5\u901a\u8fc7\u523b\u8680\u5f97\u5230\u4e0d\u540c\u6df1\u5ea6\u7684\u5316\u5b66\u7ec4\u6210\u3002<\/p>\n

3.2 <\/b><\/strong>\u8868\u5f81\u5e94\u7528<\/b><\/strong><\/p>\n

\u9ec4\u52b2\u677e\u56e2\u961f[<\/sup>4]<\/sup>\u4e8e2019\u5e74\u5728science\u6742\u5fd7\u4e0a\u62a5\u9053\u4e86\u9632\u6c34\u578b\u9499\u949b\u77ff\uff0c\u4e3b\u8981\u65b9\u6cd5\u662f\u539f\u4f4d\u5f62\u6210\u949d\u5316\u5c42\uff0c\u4f17\u6240\u5468\u77e5\uff0c\u4e0d\u6eb6\u4e8e\u6c34\u7684\u949d\u5316\u5c42\u53ef\u4ee5\u6709\u6548\u7684\u9694\u79bb\u6c34\u5206\u5b50\u7684\u4fb5\u5165\uff0c\u4f5c\u8005\u5c06\u9499\u949b\u77ff\u4e0e\u786b\u9178\u76d0\u6216\u78f7\u9178\u76d0\u79bb\u5b50\u53cd\u5e94\uff0c\u5c06\u5364\u5316\u94c5\u9499\u949b\u77ff\u8868\u9762\u8f6c\u5316\u4e3a\u6c34\u4e0d\u6eb6\u6027PbSO4<\/sub>, Pb3<\/sub>(PO4<\/sub>)2<\/sub>\u7a33\u5b9a\u539f\u4f4d\u949d\u5316\u5c42\uff0c\u4ece\u800c\u4f7f\u9499\u949b\u77ff\u7684\u5bff\u547d\u5927\u5927\u589e\u5f3a\uff0c\u540c\u65f6\u5668\u4ef6\u7684\u6548\u7387\u53ef\u8fbe21.1\uff05\u3002\u4e8e\u662f\u4f5c\u8005\u5229\u7528XPS\u8868\u5f81\u53d1\u73b0\u6d4b\u8bd5\u7ed3\u679c\u90fd\u8bc1\u660e\u8868\u9762\u6709\u786b\u9178\u94c5\u4fee\u9970\u5c42\u7684\u5b58\u5728\u3002\u4e14Pb\u7684\u5cf0\u4f4d\u7f6e\u6709\u4e00\u5b9a\u7a0b\u5ea6\u7684\u79fb\u52a8\uff0c\u8868\u660e\u949d\u5316\u5c42\u4e0e\u7898\u5316\u94c5\u5c42\u6709\u4e00\u5b9a\u7684\u76f8\u4e92\u4f5c\u7528\uff0c\u4f7f\u949d\u5316\u5c42\u4e0e\u9499\u949b\u77ff\u7ed3\u5408\u5728\u4e00\u8d77\u3002<\/p>\n

\u56fe4:\u53c2\u6bd4\u548c\u949d\u5316\u540e\u7684XPS\u56fe[<\/sup>4]<\/sup><\/p>\n

\"\"<\/p>\n

4<\/b><\/strong>\u3001<\/b><\/strong>\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08Density Functional Theory\uff0cDFT\uff09<\/b><\/strong><\/p>\n

4<\/b><\/strong>.1<\/b><\/strong>\u00a0<\/b><\/strong>\u8868\u5f81\u539f\u7406<\/b><\/strong><\/p>\n

\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08Density Functional Theory\uff0cDFT\uff09\u4f5c\u4e3a\u5904\u7406\u591a\u7c92\u5b50\u4f53\u7cfb\u7684\u8fd1\u4f3c\u65b9\u6cd5\u5df2\u7ecf\u5728\u51dd\u805a\u6001\u7269\u7406\u3001\u6750\u6599\u79d1\u5b66\u3001\u91cf\u5b50\u5316\u5b66\u548c\u751f\u547d\u79d1\u5b66\u7b49\u9886\u57df\u53d6\u5f97\u4e86\u5e7f\u6cdb\u5e94\u7528\u3002\u57fa\u4e8eDFT\u7684\u6750\u6599\u79d1\u5b66\u8ba1\u7b97\u6a21\u62df\u65b9\u6cd5\u4e0d\u4ec5\u53ef\u4ee5\u9884\u6d4b\u65b0\u6750\u6599\uff0c\u800c\u4e14\u53ef\u4ee5\u7814\u7a76\u73b0\u6709\u6750\u6599\uff0c\u53ef\u4ee5\u7814\u7a76\u6750\u6599\u7684\u7ed3\u6784\uff1a\u7ed3\u6784\u53c2\u6570\uff08\u952e\u957f\u3001\u952e\u89d2\u3001\u6676\u683c\u53c2\u6570\u3001\u539f\u5b50\u4f4d\u7f6e\uff09\uff0c\u7a33\u5b9a\u6784\u578b\u7b49\uff1b\u6750\u6599\u8868\u9762\u80fd\uff1a\u8868\u9762\u5438\u9644\u80fd\uff0c\u8868\u9762\u80fd\u91cf\uff0c\u8868\u9762\u91cd\u6784\u3001\u7f3a\u9677\u7b49\u7ed3\u6784\uff1b\u4ee5\u53ca\u6750\u6599\/\u80fd\u6e90\/\u5316\u5b66\u53ca\u5176\u4ea4\u53c9\u5b66\u79d1\u76f8\u5173\u7684\u4ece\u5934\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u7b49\u3002DFT\u8ba1\u7b97\u662f\u4e00\u95e8\u4ea4\u53c9\u5b66\u79d1\uff0c\u5f80\u5f80\u5c06\u8ba1\u7b97\u548c\u6750\u6599\u5b66\u79d1\u7684\u5b9e\u9a8c\u7ed3\u5408\u5728\u4e00\u8d77\uff0c\u4e92\u76f8\u8865\u5145\u3002<\/p>\n

4<\/b><\/strong>.<\/b><\/strong>2 <\/b><\/strong>\u8868\u5f81\u5e94\u7528<\/b><\/strong><\/p>\n

\uff081\uff09\u5468\u6b22\u840d\u6559\u6388[<\/sup>5]<\/sup>\u56e2\u961f\u4f7f\u7528DFT\u7814\u7a76\u4e86\u9499\u949b\u77ff\u4e2dNaF\u7684\u4f4d\u7f6e\u53ca\u5176\u5bf9\u9499\u949b\u77ff\u7a33\u5b9a\u6027\u7684\u5f71\u54cd\uff0c\u901a\u8fc7\u8ba1\u7b97\u94a0\u79bb\u5b50\u7684\u76f8\u5bf9\u80fd\u91cf\uff0c\u53d1\u73b0\u94a0\u79bb\u5b50\u5728\u8868\u9762\u4e0a\u6bd4\u5728\u4f53\u76f8\u5185\u7a33\u5b9a0.2 ~ 0.3 eV\uff1b\u901a\u8fc7\u8ba1\u7b97\u6c1f\u79bb\u5b50\u7684\u76f8\u5bf9\u80fd\u91cf\uff0c\u53d1\u73b0\u5c06\u6c1f\u79bb\u5b50\u5408\u5e76\u5230\u9499\u949b\u77ff\u6676\u683c\u4e2d\u662f\u975e\u5e38\u96be\uff0c\u800c\u4e14\u5b83\u5f3a\u70c8\u503e\u5411\u4e8e\u5446\u5728\u8868\u9762\u3002\u6c1f\u79bb\u5b50\u6700\u6709\u5229\u7684\u4f4d\u7f6e\u8981\u4e48\u662f\u5728\u7898\u5316\u94c5\u7684\u8868\u9762\u4e0a\u53d6\u4ee3\u7898\u79bb\u5b50\uff0c\u8981\u4e48\u662f\u5728\u9499\u949b\u77ff\u4f53\u7684\u4f53\u76f8\u91cc\u3002\u5728FAI\u8868\u9762\u6c1f\u79bb\u5b50\u7684\u63ba\u5165\u6539\u53d8\u4e86\u8868\u9762\u548c\u6b21\u8868\u9762\u5c42\u7684\u5c40\u90e8\u7ed3\u5408\u3002\u6700\u5f15\u4eba\u6ce8\u76ee\u7684\u53d8\u5316\u662f\u6c1f\u4f4d\u70b9\u5468\u56f4\u7684\u9633\u79bb\u5b50\u91cd\u65b0\u671d\u5411\u6c1f\u79bb\u5b50\uff0c\u4ece\u800c\u4f7f\u5b83\u4eec\u4e0e\u6c1f\u79bb\u5b50\u7684\u76f8\u4e92\u4f5c\u7528\u6700\u5927\u5316\u3002<\/p>\n

\u56fe5\uff1aNa\u3001F\u79bb\u5b50\u7684\u4f4d\u7f6e\u53ca\u5176\u5bf9FAI\u7a7a\u4f4d\u5316\u5b66\u952e\u5f3a\u5ea6\u548c\u5f62\u6210\u80fd\u7684\u5f71\u54cd[<\/sup>5]<\/sup><\/p>\n

\"\"<\/p>\n

\uff082\uff09Alex K.Y. Jen\u6559\u6388\u56e2\u961f[<\/sup>6]<\/sup>\uff0c\u6210\u529f\u4f7f\u7528\u8def\u6613\u65af\u78b1\u5c0f\u5206\u5b50\u949d\u5316\u65e0\u673a\u9499\u949b\u77ff\u819c\uff0c\u4f5c\u8005\u4f18\u5316\u540e\u7684PVSCs\u83b7\u5f97\u4e8616.1%\u7684\u51a0\u519b\u6548\u7387\u548c15.6%\u7684\u8ba4\u8bc1\u6548\u7387\uff0c\u63d0\u9ad8\u4e86\u5149\u7a33\u5b9a\u6027\uff0c\u662f\u8fc4\u4eca\u4e3a\u6b62\u6548\u7387\u6700\u9ad8\u7684\u5168\u65e0\u673a\u5012\u7f6e\u9499\u949b\u77ff\u3002\u4e8e\u662f\u4f5c\u8005\u8fdb\u884c\u4e00\u7cfb\u5217\u7684\u7814\u7a76\u8def\u6613\u65af\u78b16TIC-4F\u7684\u4f5c\u7528\uff0c\u7ed3\u679c\u53d1\u73b0\u4e01\u8148(C-N)\u57fa\u56e2\u53ef\u4ee5\u6709\u6548\u964d\u4f4e\u9499\u949b\u77ff\u819c\u7684\u9677\u9631\u5bc6\u5ea6\uff0c\u4ece\u800c\u663e\u8457\u6291\u5236\u9499\u949b\u77ff\u819c\u7684\u5438\u6536\u3002\u5176\u4e2d\u4f5c\u8005\u5229\u7528DFT\u8ba1\u7b97\u8fdb\u884c\u6784\u8c61\u4f18\u5316\uff0c\u901a\u8fc7\u4f18\u5316\u540e\u7684\u6784\u8c61\u53ef\u4ee5\u770b\u51fa\uff0cF-Pb\u3001N-Pb\u3001S-Pb\u4e09\u79cd\u952e\u7ecf\u8fc7\u51e0\u4f55\u914d\u4f4d\u540e\u5747\u7a33\u5b9a\u5f62\u6210\uff0c\u503c\u5f97\u6ce8\u610f\u7684\u662f\uff0cS-Pb\u952e\u53ea\u6709\u57286TIC-4F\u5904\u4e8e\u6676\u754c\u8fb9\u7f18\u65f6\u624d\u80fd\u5f62\u6210\uff0c\u8fd9\u53ef\u80fd\u662f\u7531\u4e8e\u4fa7\u94fe\u7684\u5f3a\u70c8\u7acb\u4f53\u6548\u5e94\u3002\u5f536TIC-4F\u5206\u5b50\u88ab\u53bb\u9664\u65f6\uff0c\u5728\u94c5\u66b4\u9732\u7684\u8868\u9762\u6709\u8f83\u9ad8\u7684\u7535\u5b50\u5bc6\u5ea6\uff0c\u8fd9\u662f\u8868\u9762\u7f3a\u9677\u5f62\u6210\u7684\u663e\u8457\u7279\u5f81\u3002\u8fd9\u4e9b\u8ba1\u7b97\u7ed3\u679c\u6e05\u695a\u5730\u8868\u660e\uff0c\u8be56TIC-4F\u949d\u5316\u7684\u65b9\u6cd5\u6709\u529b\u7684\u6d88\u9664\u4e86\u8868\u9762\u7f3a\u9677\u3002<\/p>\n

\u56fe6\uff1a6TIC-4F\u548c\u9499\u949b\u77ff\u7ed3\u6784\u7684\u7406\u8bba\u6a21\u62df[<\/sup>6]<\/sup><\/p>\n

\"\"<\/p>\n

\u53c2\u8003\u6587\u732e\uff1a<\/b><\/strong><\/p>\n

[1] High-Performance Perovskite Solar Cells with Excellent Humidity and Thermo-Stability via Fluorinated Perylenediimide;DOI:10.1002\/aenm.201900198.<\/p>\n

[2] Caffeine Improves the Performance and Thermal Stability of Perovskite Solar Cells\uff1bDOI\uff1a10.1016\/j.joule.2019.04.005.<\/p>\n

[3] Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional 19F Solid-State NMR Spectroscopy\uff1b DOI\uff1a10.1021\/jacs.9b13701.<\/p>\n

[4]Stabilizing\u00a0halide\u00a0perovskite\u00a0surfaces\u00a0for\u00a0solar\u00a0cell\u00a0operation\u00a0with\u00a0wide-andgap\u00a0lead\u00a0oxysalts;\u00a0DOI\uff1a10.1126\/science.aax3294.<\/p>\n

[5]Cation and anion immobilization through chemical bonding enhancement with fluorides for stable halide perovskite solar cells\uff1bDOI\uff1a10.1038\/s41560-019-0382-6.<\/p>\n

[6]Highly efficient all-inorganic perovskite solar cells with suppressed non-radiative recombination by a Lewis base\u00a0;doi: 10.1021\/jacs.6b10227.<\/p>\n

\uff01\uff01\uff01\u9ad8\u4eae\uff01\uff01\uff01<\/strong><\/span><\/p>\n

\u6750\u6599\u4eba\u91cd\u78c5\u63a8\u51fa\u7279\u8272DFT\u8ba1\u7b97\u670d\u52a1\uff0c\u4e3a\u5e7f\u5927\u6750\u6599&\u5316\u5b66\u79d1\u6280\u5de5\u4f5c\u8005\u63d0\u4f9b\u5305\u62ec\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u3001\u6709\u9650\u5143\u8ba1\u7b97\u3001\u5206\u5b50\u52a8\u529b\u5b66\u8ba1\u7b97\u3001\u6d41\u4f53\u529b\u5b66\u8ba1\u7b97\u3001\u76f8\u56fe\u8ba1\u7b97\u7b49\u4e00\u7cfb\u5217\u6750\u6599\u8ba1\u7b97\u4ee3\u7b97\u670d\u52a1\uff0c\u4ee5\u53ca\u76f8\u5173\u7684\u8ba1\u7b97\u6307\u5bfc\u3001\u57f9\u8bad\u670d\u52a1\u3002<\/p>\n

\u5982\u6709\u9700\u8981\uff0c\u6b22\u8fce\u626b\u7801\u6dfb\u52a0\u5ba2\u670d\u54a8\u8be2\uff08\u5fae\u4fe1\u53f7\uff1acailiaoren002<\/strong>\uff09<\/p>\n

\u672c\u6587\u7531crystal\u4f9b\u7a3f\u3002<\/p>\n

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